Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50196607'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196607 (7-(4-(3-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)prop...) Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)N(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H34N4O4/c35-29(33-37)9-3-1-2-6-20-38-26-13-11-25(12-14-26)34(22-23-16-18-31-19-17-23)30(36)15-10-24-21-32-28-8-5-4-7-27(24)28/h4-5,7-8,11-14,16-19,21,32,37H,1-3,6,9-10,15,20,22H2,(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source				Bioorg Med Chem Lett 17: 136-41 (2006) Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ
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